methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

C13H11N5O2 — CID 103200956

IUPACmethyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc2nccc(-c3ccncc3)n2n1
InChIInChI=1S/C13H11N5O2/c1-20-12(19)8-11-16-13-15-7-4-10(18(13)17-11)9-2-5-14-6-3-9/h2-7H,8H2,1H3
InChIKeyGAXQPBATPKOQHS-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.90
Rot. Bonds3

About methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (PubChem CID 103200956) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
PubChem CID103200956
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Namemethyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc2nccc(-c3ccncc3)n2n1
InChIInChI=1S/C13H11N5O2/c1-20-12(19)8-11-16-13-15-7-4-10(18(13)17-11)9-2-5-14-6-3-9/h2-7H,8H2,1H3
InChIKeyGAXQPBATPKOQHS-UHFFFAOYSA-N
XLogP0.90
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (CID 103200956) is methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is COC(=O)Cc1nc2nccc(-c3ccncc3)n2n1.
What is the InChIKey of methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The InChIKey is GAXQPBATPKOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-12(19)8-11-16-13-15-7-4-10(18(13)17-11)9-2-5-14-6-3-9/h2-7H,8H2,1H3.
What are the key properties of methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate has a molecular weight of 269.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is sourced from PubChem (CID 103200956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).